Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | CDK4 | P11802 | 4/20 | 0.49 |
| ▸ | CDK2 | P24941 | 4/20 | 0.49 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.49 |
| ▸ | TRPV4 | Q9HBA0 | 5/20 | 0.45 |
| ▸ | COMT | P21964 | 2/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.43 |
| ▸ | TUBB | P07437 | 1/20 | 0.43 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.43 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.43 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.43 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.43 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.43 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.43 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.43 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.43 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.43 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.43 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16434004 | 0.72 | LMNA (0.72) | LMNAHTTTRPV4TUBB4ATUBB | |
| SCHEMBL3799747 | 0.72 | ALDH1A1 (0.43) | LMNAHTTNPC1MEN1KMT2A | |
| SCHEMBL12537263 | 0.71 | COMT (0.52) | LMNAHTTCDK4CDK2CCNE1 | |
| SCHEMBL16434062 | 0.69 | LMNA (1.00) | LMNAHTTCDK4CDK2CCNE1 | |
| SCHEMBL7964249 | 0.68 | TSHR (0.50) | NPC1METAP1RAB9AALDH1A1TSHR | |
| SCHEMBL9286689 | 0.68 | ALDH1A1 (0.43) | HTTNPC1METAP1RAB9APOLB | |
| SCHEMBL5352893 | 0.66 | CDK2 (0.45) | LMNAHTTCDK4CDK2CCNE1 | |
| SCHEMBL4314069 | 0.66 | CDK2 (1.00) | LMNAHTTCDK4CDK2CCNE1 | |
| SCHEMBL12912141 | 0.66 | TRPV4 (0.64) | LMNAHTTTRPV4TUBB4ATUBB | |
| SCHEMBL5209668 | 0.65 | LMNA (0.49) | LMNAHTTCDK4CDK2CCNE1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3344997-A1 | OPIOID RECEPTOR MODULATORS AND USE THEREOF | Regents of the University of Minnesota (US) | 2018-07-11 | — | — | EP | disclosed |
| WO-2017039778-A1 | OPIOID RECEPTOR MODULATORS AND USE THEREOF | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2017-03-09 | — | — | WO | disclosed |
| US-6605631-B1 | Controlling fungi and pests; improved activity and plant tolerability | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-12 | — | — | US | disclosed |